TQS - ≥98%(HPLC) , CAS No.353483-92-8

CAS: 353483-92-8 Cat. No.: T286911 Molecular Weight: 376.47 PubChem CID: 5038679

GRADE & PURITY ≥98%(HPLC)

Synonyms

3a,4,5,9b-Tetrahydro-4-(1-naphthalenyl)-3H-cyclopentan[c]quinoline-8-sulfonamide | 4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3a, 4, 5, 9b-Tetrahydro-4-(1-naphthalenyl)-3H-cyclopentan[c]quinoline-8-sulfonamide | 4-(naphthalen-1-yl)-3a, 4, 5, 9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Type II positive allosteric modulator ofα7 nACh receptors (pEC50= 5.5). Displays no agonist activity atα7 receptors at concentrations up to 0.1 mM; potentiates agonist-evoked responses and reduces rate of desensitization ofα7 nAChRs. Exhibits potency and

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC5=CC=CC=C54
• IUPAC Name: 4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• InChIKey: SIZWDJIHABLBSP-UHFFFAOYSA-N
• INCHI: 1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)
• Isomeric SMILES: C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC5=CC=CC=C54
• PubChem CID: 5038679
• Molecular Weight: 376.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Naphthalenes Secondary alkylarylamines Aralkylamines Organosulfonamides Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Naphthalene - Secondary aliphatic/aromatic amine - Aralkylamine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary amine - Azacycle - Organic oxide - Amine - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (3 Activities)

Discover Target: CHRNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

Discover Target: CHRNA7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 18.82, Max Conc. mM: 50
• Molecular Weight: 376.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 376.125 Da
• Monoisotopic Mass: 376.125 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 685.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1